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3,5-Bis(trifluoromethyl)benzophenone

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Name

3,5-Bis(trifluoromethyl)benzophenone

EINECS 244-282-5
CAS No. 21221-93-2 Density 1.356 g/cm3
PSA 17.07000 LogP 4.95520
Solubility N/A Melting Point 109.0-110.8 °C
Formula C15H8F6O Boiling Point 306.6 °C at 760 mmHg
Molecular Weight 318.218 Flash Point 117.6 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 21221-93-2 (3,5-BIS(TRIFLUOROMETHYL)BENZOPHENONE) Hazard Symbols IrritantXi
Synonyms

Benzophenone, 3,5-bis(trifluoromethyl)-;

Article Data 18

3,5-Bis(trifluoromethyl)benzophenone Specification

The Methanone,[3,5-bis(trifluoromethyl)phenyl]phenyl-, with the CAS registry number of 21221-93-2, is also known as Benzophenone, 3,5-bis(trifluoromethyl)-. Its EINECS registry number is 244-282-5. This chemical's molecular formula is C15H8F6O and molecular weight is 318.21. What's more, its IUPAC name is [3,5-Bis(trifluoromethyl)phenyl]-phenylmethanone. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Methanone,[3,5-bis(trifluoromethyl)phenyl]phenyl- are: (1)ACD/LogP: 5.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.57; (4)ACD/LogD (pH 7.4): 5.57; (5)ACD/BCF (pH 5.5): 10099.2; (6)ACD/BCF (pH 7.4): 10099.2; (7)ACD/KOC (pH 5.5): 25577.49; (8)ACD/KOC (pH 7.4): 25577.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 66 cm3; (15)Molar Volume: 234.5 cm3; (16)Surface Tension: 28.3 dyne/cm; (17)Density: 1.356 g/cm3; (18)Flash Point: 117.6 °C; (19)Enthalpy of Vaporization: 54.72 kJ/mol; (20)Boiling Point: 306.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000762 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)c2ccccc2
(2) InChI: InChI=1/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: QETSMUIBVUASOJ-UHFFFAOYAL

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